1H-thioxanthen-1-id-9-one;yttrium

C13H7OSY- — CID 153418363

IUPAC1H-thioxanthen-1-id-9-one;yttrium
SMILESO=c1c2[c-]cccc2sc2ccccc12.[Y]
InChIInChI=1S/C13H7OS.Y/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1-5,7-8H;/q-1;
InChIKeyXASHBQGDADUJTR-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.21
Rot. Bonds

About 1H-thioxanthen-1-id-9-one;yttrium

1H-thioxanthen-1-id-9-one;yttrium (PubChem CID 153418363) has the molecular formula C13H7OSY- and a molecular weight of 300.17 g/mol. Its IUPAC name is 1H-thioxanthen-1-id-9-one;yttrium.

Molecular Properties

Compound Name1H-thioxanthen-1-id-9-one;yttrium
PubChem CID153418363
Molecular FormulaC13H7OSY-
Molecular Weight300.17 g/mol
Exact Mass299.93
IUPAC Name1H-thioxanthen-1-id-9-one;yttrium
SMILESO=c1c2[c-]cccc2sc2ccccc12.[Y]
InChIInChI=1S/C13H7OS.Y/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1-5,7-8H;/q-1;
InChIKeyXASHBQGDADUJTR-UHFFFAOYSA-N
XLogP3.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-thioxanthen-1-id-9-one;yttrium?
The IUPAC name of 1H-thioxanthen-1-id-9-one;yttrium (CID 153418363) is 1H-thioxanthen-1-id-9-one;yttrium.
What is the SMILES notation for 1H-thioxanthen-1-id-9-one;yttrium?
The canonical SMILES for 1H-thioxanthen-1-id-9-one;yttrium is O=c1c2[c-]cccc2sc2ccccc12.[Y].
What is the InChIKey of 1H-thioxanthen-1-id-9-one;yttrium?
The InChIKey is XASHBQGDADUJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7OS.Y/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1-5,7-8H;/q-1;.
What are the key properties of 1H-thioxanthen-1-id-9-one;yttrium?
1H-thioxanthen-1-id-9-one;yttrium has a molecular weight of 300.17 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-thioxanthen-1-id-9-one;yttrium is sourced from PubChem (CID 153418363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).